mp-1192580/LaZr2F11/harm

Harmonic properties

../../_images/fig_bandos_pr15801.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20185.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15800.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215396.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times26030.png

(a) Computation time